
 CHEMBL3986990

 73 76  0  0  0  0  0  0  0  0999 V2000
    5.8415    4.7336   -4.3928 C   0  0  0  0  0
    6.1185    5.2250   -2.9727 C   0  0  0  0  0
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    6.1291    5.5075   -5.1126 H   0  0  0  0  0
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    4.6969    2.6695   -1.2396 H   0  0  0  0  0
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    2.5473    3.5928   -2.0117 H   0  0  0  0  0
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    6.6351   11.6389   -1.6483 H   0  0  0  0  0
    8.6645   12.6189   -0.6556 H   0  0  0  0  0
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    9.2962    8.3240    2.4627 H   0  0  0  0  0
   10.6257    9.3590    1.9748 H   0  0  0  0  0
   10.2963    7.9048    1.0388 H   0  0  0  0  0
    5.0722    8.5656   -0.6124 H   0  0  0  0  0
    5.9123    8.4931   -2.1887 H   0  0  0  0  0
    4.9995    9.9356   -1.7115 H   0  0  0  0  0
    7.5377    3.3008   -1.6939 H   0  0  0  0  0
    7.9818    1.6390   -3.1971 H   0  0  0  0  0
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    7.5395   -0.9225   -5.6491 H   0  0  0  0  0
    7.0546   -0.5599   -3.9361 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3986990

>  <PubChem CID>
89799812

>  <Formula>
C29H36F3N3O2

>  <Molecular Weight>
515.621000

>  <IUPAC Name>
(3R,4S)-N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-3-(diethylaminomethyl)-1-(2,6-dimethylphenyl)-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(CC)CC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C4CC4

>  <Isomeric SMILES>
CCN(CC)C[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C4CC4

>  <InChI Std. ID>
InChI=1S/C29H36F3N3O2/c1-6-34(7-2)16-28(17-35(26(36)20(28)5)25-18(3)9-8-10-19(25)4)27(37)33-24-14-22(21-11-12-21)13-23(15-24)29(30,31)32/h8-10,13-15,20-21H,6-7,11-12,16-17H2,1-5H3,(H,33,37)/t20-,28-/m1/s1

>  <InChI Key>
BLGKCGLKODCYMC-PIIWDFAUSA-N

